SCHEMBL4333739

SCHEMBL4333739

COc1ccccc1-c1cnn2ccc(N(C)c3ccc4c(c3)OCO4)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.43
KDR P35968 2/20 0.42
FYN P06241 1/20 0.42
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
PTGS2 P35354 1/20 0.39
HTR7 P34969 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4335186 0.90 RET (0.42) RETKDRFYNMEN1NPC1
SCHEMBL4339353 0.87 RET (0.40) RETKDRFYNMAPTSMN1; SMN2
SCHEMBL4342823 0.86 RET (0.44) RETKDREGFRPDGFRBPDGFRA
SCHEMBL4594312 0.83 RET (0.60) RETKDRMAPTEGFRPDGFRB
SCHEMBL4340320 0.83 RET (0.41) RETKDREGFRPDGFRBPDGFRA
SCHEMBL4333149 0.81 FYN (0.47) RETKDRFYNMAPTEGFR
SCHEMBL4342461 0.81 RET (0.42) RETKDRMEN1NPC1RAB9A
SCHEMBL4344703 0.80 RET (0.48) RETKDRFYNNPC1RAB9A
SCHEMBL4595305 0.80 FYN (0.43) RETFYNMEN1NPC1RAB9A
SCHEMBL4331109 0.77 RET (0.47) RETKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK RET 911/4885KDR 12/4885FYN 151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.